2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol

C12H15N3OS — CID 114188661

IUPAC2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cncc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H15N3OS/c1-13-10-4-11(6-14-5-10)15-7-12(16)9-2-3-17-8-9/h2-6,8,12-13,15-16H,7H2,1H3
InChIKeyIBGWVTKTBIYVIS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol

2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol (PubChem CID 114188661) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
PubChem CID114188661
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
SMILESCNc1cncc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H15N3OS/c1-13-10-4-11(6-14-5-10)15-7-12(16)9-2-3-17-8-9/h2-6,8,12-13,15-16H,7H2,1H3
InChIKeyIBGWVTKTBIYVIS-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
CID 106436529
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
CID 167820242
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol (CID 114188661) is 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol is CNc1cncc(NCC(O)c2ccsc2)c1.
What is the InChIKey of 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol?
The InChIKey is IBGWVTKTBIYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-13-10-4-11(6-14-5-10)15-7-12(16)9-2-3-17-8-9/h2-6,8,12-13,15-16H,7H2,1H3.
What are the key properties of 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol?
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol has a molecular weight of 249.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).